Graphene nanostructures, such as nanoribbons, nanoislands or nanoflakes, exhibit unique emergent properties that can be used to study new physical and chemical processes, and whose applications hold a great promise for developing new nanoelectronic devices.The main objective of this project is to contribute to the understanding of the electronic processes occurring in such graphene nanostructures. With this aim, ab initio simulations of electronic and transport properties will be performed using powerful computational tools based on density functional theory (DFT). Such tools allow to study different effects at the atomic scale, such as the influence of the geometry or the magnetic and spin dependent properties. A special focus will be given to the effect of doping. Besides, the theoretical project described here will benefit from our close collaboration with experimental groups working in the field of graphene.
Supervisor: Aran Garcia-Lekue.